SCHEMBL13655306

SCHEMBL13655306

CN(C(=O)c1cc2c(s1)-c1cc(N)ccc1OCC2)c1ccc(Cl)cc1Cl

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.67
PIK3CB P42338 13/20 0.67
PIK3CD O00329 1/20 0.58
MTOR P42345 1/20 0.58
PIK3CG P48736 1/20 0.58
PRKDC P78527 1/20 0.58

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13655403 0.95 PIK3CA (0.70) PIK3CAPIK3CBPIK3CDMTORPIK3CG
SCHEMBL988647 0.90 PIK3CA (0.65) PIK3CAPIK3CBPIK3CDMTORPIK3CG
SCHEMBL989692 0.89 PIK3CA (0.70) PIK3CAPIK3CBPIK3CDMTORPIK3CG
SCHEMBL989011 0.89 PIK3CA (0.70) PIK3CAPIK3CBPIK3CDMTORPIK3CG
SCHEMBL989922 0.89 PIK3CA (0.83) PIK3CAPIK3CBPIK3CDMTORPIK3CG
SCHEMBL987950 0.87 PIK3CA (0.82) PIK3CAPIK3CBPIK3CDMTORPIK3CG
SCHEMBL991311 0.84 PIK3CA (0.74) PIK3CAPIK3CBPIK3CDMTORPIK3CG
SCHEMBL989027 0.83 PIK3CA (0.71) PIK3CAPIK3CBPIK3CDMTORPIK3CG
SCHEMBL988062 0.82 PIK3CA (0.63) PIK3CAPIK3CBPIK3CDMTORPIK3CG
SCHEMBL988969 0.82 PIK3CA (0.86) PIK3CAPIK3CBPIK3CDMTORPIK3CG

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009123971-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2009-10-08 WO disclosed